Solid State Communications最新文献_第2页

5f electron induced spin transport by sandwich-type phthalocyanine 三明治型酞菁的5f电子诱导自旋输运

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-07-04 DOI: 10.1016/j.ssc.2025.116063

Lu Xu , Ding Wang , Xiaobo Yuan , Dongfa Lan , Yu Zhu , Xiaobo Li , Weiyu Xie

{"title":"5f electron induced spin transport by sandwich-type phthalocyanine","authors":"Lu Xu , Ding Wang , Xiaobo Yuan , Dongfa Lan , Yu Zhu , Xiaobo Li , Weiyu Xie","doi":"10.1016/j.ssc.2025.116063","DOIUrl":"10.1016/j.ssc.2025.116063","url":null,"abstract":"<div><div>The rapid development of integrated circuits highlights the critical need for novel spintronic device designs. Sandwich-type phthalocyanine molecules, with their unique electrical and magnetic properties, show great potential in spintronic applications. Actinide elements, due to the strong interaction of their 5f electrons, can induce various exotic spin transport effects. In this study, we employed the non-equilibrium Green's function method combined with density functional theory (NEGF-DFT) to investigate the spin transport properties of the actinide sandwich phthalocyanine molecule U(<em>Pc</em>)<sub>2</sub>. Electronic structure analysis indicates that the 5f electrons of uranium atom dominate its frontier orbital behavior. Transport property analyses reveal that when the bias voltage exceeds 0.4 V, the current increases significantly, due to an increase in the spin-up electron transmission peak, primarily contributed by 5f electrons. Our results underscore the dominant role of U-5f electrons in the spin transport of U(<em>Pc</em>)<sub>2</sub>. This study aims to provide beneficial assistance for the development of actinide phthalocyanine molecular spintronic devices.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116063"},"PeriodicalIF":2.1,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144556578","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Improvement in electro-optical and dielectric properties of Silver nanoparticles dispersed in a nematic liquid crystal 向列相液晶中分散银纳米粒子电光和介电性能的改善

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-07-02 DOI: 10.1016/j.ssc.2025.116068

N. Navya, H.S. Sumantha, B.L. Suresha

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Electron transport through protein chains interfacing nanoribbon and nanotube leads 通过纳米带和纳米管引线界面的蛋白质链的电子传递

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-07-01 DOI: 10.1016/j.ssc.2025.116057

Hamze Mousavi

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The mechanical, electronic and contact properties of quasi-tetragonal C60H6 monolayer 准四方C60H6单层材料的力学、电子和接触性能

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-07-01 DOI: 10.1016/j.ssc.2025.116067

Yongjian Wu, Jie Sun, Jiancai Leng

引用次数: 0

Unraveling the nonlinear optical behaviour of guanidinium (lS) – (+) – 10 – camphorsulfonate single crystal 揭示了胍(lS) -(+) - 10 -樟脑磺酸盐单晶的非线性光学行为

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-06-30 DOI: 10.1016/j.ssc.2025.116066

Kiran , N. Vijayan , Vinod , N. Sarkar , Kapil Kumar , B. Sridhar

{"title":"Unraveling the nonlinear optical behaviour of guanidinium (lS) – (+) – 10 – camphorsulfonate single crystal","authors":"Kiran , N. Vijayan , Vinod , N. Sarkar , Kapil Kumar , B. Sridhar","doi":"10.1016/j.ssc.2025.116066","DOIUrl":"10.1016/j.ssc.2025.116066","url":null,"abstract":"<div><div>Guanidine based single crystals have gained attention in the optoelectronic sector due to their excellent nonlinear behaviour towards high intense laser. Their hydrogen-bonded networks provide a strong nonlinear response which is significant for the crystals used in photonics. In this work, we report the synthesis and growth of guanidinium (lS) - (+) - 10 - camphorsulfonate (GCS) single crystals via slow evaporation solution method. Our experimental analysis encompassed Fourier transform infrared (FTIR) spectroscopy to understand the existing functional groups within the compound. The dominant interactions observed in Hirshfeld surface are O···H and H···H, contributing 40.9 % and 50.5 %, respectively. Besides, it is demonstrated that the GCS crystal has unique optical characteristics, including a direct bandgap of 3.86 eV and a wide optical transparency of 40 %. Moreover, GCS exhibits a large thermal stability up to a temperature of 320 °C which makes it suitable for device usage at higher temperatures. Additionally, determining the third-order nonlinearity of the entitled crystal by computing the nonlinear absorption coefficient, <em>β</em> and nonlinear index of refraction, <em>n</em><sub>2</sub> sheds light on the nonlinear characteristics of the crystal owing to its applicability as an optical limiter. Overall, the research opens up new possibilities for the synthesis and design of hydrogen-bonded guanidinium salts for the advancement of NLO applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116066"},"PeriodicalIF":2.1,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144536083","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Nanostructured designs for extreme strain hardening of metallic glasses 金属玻璃极端应变硬化的纳米结构设计

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-06-27 DOI: 10.1016/j.ssc.2025.116065

Yuxuan Cui , Zhilin Long , Rutong Wan , Lidong You

引用次数: 0

Effects of point defect and surface polarity on the magnetism of undoped ZnO 点缺陷和表面极性对未掺杂ZnO磁性的影响

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-06-26 DOI: 10.1016/j.ssc.2025.116064

Hui Feng , Zihan Chen , Huahan Zhan , Junyong Kang , Yongliang Zhou

{"title":"Effects of point defect and surface polarity on the magnetism of undoped ZnO","authors":"Hui Feng , Zihan Chen , Huahan Zhan , Junyong Kang , Yongliang Zhou","doi":"10.1016/j.ssc.2025.116064","DOIUrl":"10.1016/j.ssc.2025.116064","url":null,"abstract":"<div><div>The effects of ZnO surfaces with different orientations and point defects on magnetism remains not fully understood, and it is experimentally difficult to control the growth orientation and point vacancies in ZnO. Therefore, to investigate the magnetism source of undoped ZnO, first-principles calculations were conducted on ZnO (<span><math><mrow><mn>10</mn><mover><mn>1</mn><mo>‾</mo></mover><mn>0</mn></mrow></math></span>), (<span><math><mrow><mn>10</mn><mover><mn>1</mn><mo>‾</mo></mover><mn>2</mn></mrow></math></span>), and (<span><math><mrow><mn>10</mn><mover><mn>1</mn><mo>‾</mo></mover><mn>1</mn></mrow></math></span>) surfaces, both with and without defects, including oxygen or zinc vacancies (V<sub>O</sub> or V<sub>Zn</sub>). Results revealed that the nonpolar (<span><math><mrow><mn>10</mn><mover><mn>1</mn><mo>‾</mo></mover><mn>0</mn></mrow></math></span>) surface exhibited ferromagnetism in the presence of V<sub>Zn</sub>, originating from the exchange interaction between unpaired O-2<em>p</em> electrons induced by V<sub>Zn</sub>. The polar surfaces (<span><math><mrow><mn>10</mn><mover><mn>1</mn><mo>‾</mo></mover><mn>1</mn></mrow></math></span>) and (<span><math><mrow><mn>10</mn><mover><mn>1</mn><mo>‾</mo></mover><mn>2</mn></mrow></math></span>) were ferromagnetic both without vacancies and with V<sub>Zn</sub>, the magnetism was caused by the spin polarization of unpaired electrons in the dangling bonds of surface atoms. The Zn-4<em>s</em> electrons originating from V<sub>O</sub> can pair with unpaired electrons in the dangling bonds, thereby reducing the magnetism of the polar surface. These findings contribute to a better understanding of the ferromagnetism induced by point defect and surface polarity in undoped ZnO, offering a theoretical foundation for its application in spintronic devices.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116064"},"PeriodicalIF":2.1,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144517358","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Effects of the electron-doping on the structural and magnetic properties of the Sr2−xCexFe1+x/2Mo1−x/2O6 double perovskite 电子掺杂对Sr2−xCexFe1+x/2Mo1−x/2O6双钙钛矿结构和磁性能的影响

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-06-26 DOI: 10.1016/j.ssc.2025.116046

D.L. García-Ruíz , B. Aguilar , O. Navarro , J. de la Torre Medina , T.E. Soto , M. Cervantes-Solano

{"title":"Effects of the electron-doping on the structural and magnetic properties of the Sr2−xCexFe1+x/2Mo1−x/2O6 double perovskite","authors":"D.L. García-Ruíz , B. Aguilar , O. Navarro , J. de la Torre Medina , T.E. Soto , M. Cervantes-Solano","doi":"10.1016/j.ssc.2025.116046","DOIUrl":"10.1016/j.ssc.2025.116046","url":null,"abstract":"<div><div>We report the structural, magnetic and magneto-transport properties of the new Ce-doped double perovskite Sr<span><math><msub><mrow></mrow><mrow><mn>2</mn><mo>−</mo><mi>x</mi></mrow></msub></math></span>Ce<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span>Fe<span><math><msub><mrow></mrow><mrow><mn>1</mn><mo>+</mo><mi>x</mi><mo>/</mo><mn>2</mn></mrow></msub></math></span>Mo<span><math><msub><mrow></mrow><mrow><mn>1</mn><mo>−</mo><mi>x</mi><mo>/</mo><mn>2</mn></mrow></msub></math></span>O<sub>6</sub> series with <span><math><mrow><mn>0</mn><mo>.</mo><mn>0</mn><mo>≤</mo><mi>x</mi><mo>≤</mo><mn>0</mn><mo>.</mo><mn>5</mn></mrow></math></span>, obtained by solid state reaction. The chemically homogeneous samples show a tetragonal to monoclinic crystallographic phase transition starting at <span><math><mrow><mi>x</mi><mo>=</mo></mrow></math></span> 0.3 and ending at <span><math><mrow><mi>x</mi><mo>=</mo></mrow></math></span> 0.35, which was confirmed by X-ray diffraction measurements and Rietveld refinements. The Curie temperature T<span><math><msub><mrow></mrow><mrow><mi>C</mi></mrow></msub></math></span> determined by magnetic susceptibility experiments, shows an initial decrease between the un-doped sample and <span><math><mrow><mi>x</mi><mo>=</mo></mrow></math></span> 0.05, followed by a general increase with doping, reaching a T<span><math><mrow><msub><mrow></mrow><mrow><mi>C</mi></mrow></msub><mo>=</mo></mrow></math></span> 427 K for <span><math><mrow><mi>x</mi><mo>=</mo></mrow></math></span> 0.5. A particular behavior close to the structural transition is observed. The electrical behavior is characterized by a rapid drop of the magnetoresistance ratio and a slight increase at small values of x attributable to electron injection, followed by a general decrease due principally to a controlled antisite disorder.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116046"},"PeriodicalIF":2.1,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144570592","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Development of highly dense Ga-LLZO solid electrolyte pallet for All-Solid-State Battery using Machine Learning Approach 基于机器学习方法的全固态电池用高密度Ga-LLZO固体电解质托盘的研制

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-06-26 DOI: 10.1016/j.ssc.2025.116038

Alok Kumar Chaudhary

{"title":"Development of highly dense Ga-LLZO solid electrolyte pallet for All-Solid-State Battery using Machine Learning Approach","authors":"Alok Kumar Chaudhary","doi":"10.1016/j.ssc.2025.116038","DOIUrl":"10.1016/j.ssc.2025.116038","url":null,"abstract":"<div><div>Oxide-based Solid electrolytes require high-temperature sintering (<span><math><mo>></mo></math></span>1200 °C) for preferred densification to be used in All-Solid-State Batteries, which invites severe loss of lithium. While its Lower-temperature sintering results in less densification. Thus, its sintering process involves many contradictions and requires extensive trial and error. This study addresses this densification issue using a machine learning (ML) approach. Gallium-doped LLZO (Lithium Lanthanum Zirconium Oxide) pallets were sintered from room temperature to 1200 °C. Data from these sintering processes were used to train ML models with 1000 °C and 1100 °C datapoint using three ML algorithms: Artificial Neural Network (ANN), Support Vector Machine (SVM), and Gaussian Process Regression (GPR). The models were tested for shrinkage prediction accuracy up to 1200 °C. Validation showed all ML models predicted shrinkage with <span><math><mo><</mo></math></span>0.018 RMSE, aiding densification improvement. The 1100 °C GPR model had the highest accuracy with a 0.0007 RMSE, outperforming other models.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116038"},"PeriodicalIF":2.1,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144549255","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Molecular dynamics simulation of Cu-Al functional gradient alloys under tensile loading Cu-Al功能梯度合金拉伸载荷下的分子动力学模拟

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-06-23 DOI: 10.1016/j.ssc.2025.116060

Jianwei Zhang , Qi Zhao , Lei Zhang Mr

{"title":"Molecular dynamics simulation of Cu-Al functional gradient alloys under tensile loading","authors":"Jianwei Zhang , Qi Zhao , Lei Zhang Mr","doi":"10.1016/j.ssc.2025.116060","DOIUrl":"10.1016/j.ssc.2025.116060","url":null,"abstract":"<div><div>Conventional research tools are difficult to reveal the relationship between nanoscale microstructural changes and macroscopic properties of functional gradient materials (FGMs), and it is not clear how the gradient composition distribution regulates the mechanical properties of alloys. To this end, the present study employed a molecular dynamics (MD) approach to systematically investigate the tensile mechanical response of Cu-Al gradient alloys with different compositional distribution functions (power-law, exponential and S-type) and to analyse the effects of strain rate and temperature on the mechanical properties of Cu-Al functional gradient alloys with S-type distribution functions. It is found that P-FGM is suitable for symmetric strengthening design, E-FGM is used for fast gradient response design, and S-FGM is outstanding in suppressing stress concentration. The S-shaped distribution function with different functional parameters can effectively delay the accumulation of dislocations and improve the deformation uniformity. As the gradient parameter p increases, the ultimate tensile strength (UTS) of the material tends to decrease and the time of the peak of dislocations is delayed, which is a phenomenon mainly attributed to the fact that the smooth gradient effectively disperses the stress concentration and reduces the risk of local failure. In addition, an increase in temperature leads to a gradual transformation of the FCC structure of Cu-Al alloys into an amorphous structure, resulting in a significant decrease in strength. While the increase in the velocity of the deformation can enhance the strength, it also causes a loss of elongation. This highlights the relationship between the enhancement of the velocity of deformation and the reduction of plasticity. The present study utilised molecular dynamics simulations to reveal the correlation between the degree of layering and the properties of plasticity. This provides a foundation for the design of functional layered alloys.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116060"},"PeriodicalIF":2.1,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144471184","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0